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2alpha,3beta,23alpha-trihydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranoside

Go to external page http://purl.obolibrary.org/obo/CHEBI_67952

A triterpenoid saponin that is the carboxylic ester obtained by the formal condensation of the carboxy group of asiatic acid with beta,23alpha-trihydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranose. It has been isolated from Juglans sinensis.

Term info

Label

2alpha,3beta,23alpha-trihydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranoside

Synonyms
  • 1-O-[2alpha,3beta,23-trihydroxy-28-oxours-12-en-28-yl]-beta-D-glucopyranose
database cross reference
Subsets

3_STAR

IUPAC NAME
1-O-[2alpha,3beta,23-trihydroxy-28-oxours-12-en-28-yl]-beta-D-glucopyranose [ IUPAC ]

charge

0

formula

C36H58O10

has obo namespace

chebi_ontology

has related synonym

quadranoside IV

id

CHEBI:67952

inchi

InChI=1S/C36H58O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18-19,21-30,37-43H,8-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1

inchikey

OEGYWKLSOORPGU-SXLQXSQGSA-N

mass

650.83970

monoisotopicmass

650.40300

smiles

C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O